4-(3-cyano-6,7-dimethyl-quinolin-1-ium-2-yl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-cyano-6,7-dimethyl-quinolin-1-ium-2-yl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-cyano-6,7-dimethyl-quinolin-1-ium-2-yl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-cyano-6,7-dimethyl-2-quinolin-1-iumyl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-cyano-6,7-dimethylquinolin-1-ium-2-yl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-cyano-6,7-dimethyl-quinolin-1-ium-2-yl)-N-(2,6-dimethylphenyl)-1,4-diazepane-1-carboxamide Formula: C26H30N5O+ MolecularWeight: 428.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N2CCCN(CC2)C3=[NH+]C4=CC(=C(C=C4C=C3C#N)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N2CCCN(CC2)C3=[NH+]C4=CC(=C(C=C4C=C3C#N)C)C

InChI

InChI=1S/C26H29N5O/c1-17-7-5-8-18(2)24(17)29-26(32)31-10-6-9-30(11-12-31)25-22(16-27)15-21-13-19(3)20(4)14-23(21)28-25/h5,7-8,13-15H,6,9-12H2,1-4H3,(H,29,32)/p+1